Geometry & MOs

Info

ID:

308926

PubChem CID:

126531880

Reduced:

FSO2N8H19C25 (1)

Stoich.:

ABC2D8E19F25 (1)

Weight, g/mol:

439.155686

ΔHf, kcal/mol:

92.94

Dipole, Da:

14.88

IP(EA), eV:

 -8.29(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2E)-2-[5-(2,3-dimethylimidazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC=NC=C6)NN4)/N=C32

DOS

IR

Vibrations